[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-keto-ethyl] ester Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)N(C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)N(C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-13(2)19(23-20(26)15-7-5-6-14(3)10-15)21(27)28-12-18(25)24(4)11-16-8-9-17(22)29-16/h5-10,13,19H,11-12H2,1-4H3,(H,23,26)